N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

C14H11ClFN3O3S — CID 53163427

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O3S/c1-8-14(7-13(22-8)12-4-5-17-18-12)23(20,21)19-9-2-3-11(16)10(15)6-9/h2-7,19H,1H3,(H,17,18)
InChIKeyZVRSPCZKSZXFTM-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.57
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (PubChem CID 53163427) has the molecular formula C14H11ClFN3O3S and a molecular weight of 355.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
PubChem CID53163427
Molecular FormulaC14H11ClFN3O3S
Molecular Weight355.78 g/mol
Exact Mass355.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O3S/c1-8-14(7-13(22-8)12-4-5-17-18-12)23(20,21)19-9-2-3-11(16)10(15)6-9/h2-7,19H,1H3,(H,17,18)
InChIKeyZVRSPCZKSZXFTM-UHFFFAOYSA-N
XLogP3.57
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Chlorophenyl)-2-methyl-5-(1H-pyrazol-5-YL)furan-3-sulfonamide
CID 53163400
N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329423
N-(4-fluoro-2-methylphenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329424
2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide
CID 53163433
N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163440
2-methyl-5-(3-methyl-1H-pyrazol-5-yl)-N-phenylfuran-3-sulfonamide
CID 53163502
5-{5-[(2-Chloro-4-fluorophenyl)sulfamoyl]furan-2-YL}-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183039
5-{4-[(4-Chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-YL}-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183247
N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
CID 164636850
N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 164641808
N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67647303
N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67662225

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (CID 53163427) is N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is Cc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The InChIKey is ZVRSPCZKSZXFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3S/c1-8-14(7-13(22-8)12-4-5-17-18-12)23(20,21)19-9-2-3-11(16)10(15)6-9/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide has a molecular weight of 355.78 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).